SCHEMBL31365128

SCHEMBL31365128

COc1nc(C)nc(Cl)c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ NISCH Q9Y2I1 1/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CCR4 P51679 3/20 0.35
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22139940 1.00 LMNA (0.38) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL22119996 0.82 LMNA (0.39) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL22139945 0.82 CYP1A2 (0.47) LMNACCR4L3MBTL1ALDH1A1MEN1
SCHEMBL20840567 0.81 KDM4E (0.34) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22120146 0.80 GAA (0.37) CCR4GAACA2CA4PKM
SCHEMBL8706883 0.79 GAA (0.51) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL8707599 0.78 TSHR (0.39) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL10257661 0.77 GAA (0.36) LMNAHTR1AADRA2AADRA2BADRA2C
SCHEMBL22120070 0.73 CYP1A2 (0.38) CCR4GAAMEN1KMT2AKDM4E
SCHEMBL29844244 0.73 PDK2 (0.32) LMNAMEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114026081-B Pyridone derivatives as selective cytotoxic agents against HIV-infected cells 默沙东有限责任公司 2025-02-11 — — CN disclosed
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